(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone

C17H15NO2 — CID 10849287

IUPAC(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
SMILESCC1=NOC(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-15(16(19)13-8-4-2-5-9-13)17(20-18-12)14-10-6-3-7-11-14/h2-11,15,17H,1H3
InChIKeyMWYDOQGUDXWVCM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.63
Rot. Bonds3

About (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone

(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone (PubChem CID 10849287) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
PubChem CID10849287
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone
SMILESCC1=NOC(c2ccccc2)C1C(=O)c1ccccc1
InChIInChI=1S/C17H15NO2/c1-12-15(16(19)13-8-4-2-5-9-13)17(20-18-12)14-10-6-3-7-11-14/h2-11,15,17H,1H3
InChIKeyMWYDOQGUDXWVCM-UHFFFAOYSA-N
XLogP3.63
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R,5R)-5-(4-methoxyphenyl)-3-phenyl-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 7371850
5-(3-fluorophenyl)-3-methyl-4,5-dihydro-1,2-oxazole-4-carboxylic acid
CID 70316261
(4S,5S)-3-methyl-4,5-diphenyl-4,5-dihydro-1,2-oxazole
CID 101126246
phenyl-[5-phenyl-3-(2-phenyl-1H-indol-3-yl)-4,5-dihydro-1,2-oxazol-4-yl]methanone
CID 135897831
phenyl-[(2S,3R)-3-phenyloxiran-2-yl]methanone
CID 728561
4-(dimethoxymethyl)-3-methyl-5-phenyl-4,5-dihydro-1,2-oxazole
CID 71324526
[(4R,5S)-2,2-dimethyl-5-phenyl-1,3-dioxolan-4-yl]-phenylmethanone
CID 12023939
[(2S,3R)-2,3-diphenylcyclopropyl]-phenylmethanone
CID 13111202
5-(4-chlorophenyl)-3-methyl-N-(2-methylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 14546221
[(4R,5R)-5-(4-chlorophenyl)-3-(2-nitrophenyl)-4,5-dihydro-1,2-oxazol-4-yl]-phenylmethanone
CID 23643881
(4S,5S)-5-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
CID 102186329
[(1R,2S,3S)-2-methyl-3-phenylcyclopropyl]-phenylmethanone
CID 23243414

Frequently Asked Questions

What is the IUPAC name of (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The IUPAC name of (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone (CID 10849287) is (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone.
What is the SMILES notation for (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The canonical SMILES for (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone is CC1=NOC(c2ccccc2)C1C(=O)c1ccccc1.
What is the InChIKey of (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
The InChIKey is MWYDOQGUDXWVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-15(16(19)13-8-4-2-5-9-13)17(20-18-12)14-10-6-3-7-11-14/h2-11,15,17H,1H3.
What are the key properties of (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone?
(3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone has a molecular weight of 265.31 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5-phenyl-4,5-dihydro-1,2-oxazol-4-yl)-phenylmethanone is sourced from PubChem (CID 10849287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).